SCHEMBL8734091

SCHEMBL8734091

O=C1C=CC(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.52
FAAH O00519 2/20 0.52
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
JUN P05412 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
IDO1 P14902 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
TSHR P16473 1/20 0.41
CHRM5 P08912 4/20 0.40
DAO P14920 1/20 0.40
CHRM3 P20309 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12929225 0.75 JUN (0.56) JUNNFKB1NFKB2RELACHRM5
SCHEMBL3278069 0.73 POLB (0.56) GSK3AGSK3BJUNNFKB1NFKB2
SCHEMBL2184752 0.72 CA12 (0.44) JUNNFKB1NFKB2RELAIDO1
SCHEMBL15093852 0.70 CES2 (0.43) JUNNFKB1NFKB2RELACHRM5
SCHEMBL8730226 0.69 CCR6 (0.48) MGLLFAAHJUNNFKB1NFKB2
SCHEMBL146412 0.69 MGLL (1.00) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL17123177 0.69 MGLL (0.52) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL20804327 0.69 MGLL (0.52) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL6407334 0.69 CYP2D6 (0.54) TSHRKDM4ECYP3A4CYP2D6USP2
SCHEMBL25993044 0.69 JUN (0.49) JUNNFKB1NFKB2RELACHRM5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722959-B1 Highly oxygen-permeable heat-resistant material MENICON CO LTD (JP) 1998-04-08 EP disclosed
US-5587445-A Highly oxygen-permeable heat-resistant material MENICON CO., LTD. (JP) 1996-12-24 US disclosed
EP-0722959-A2 Highly oxygen-permeable heat-resistant material Menicon Co., Ltd. (JP) 1996-07-24 EP disclosed